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We introduce TeMFpy, a Python library for converting fermionic mean-field states to finite or infinite matrix product state (MPS) form. TeMFpy includes new, efficient, and easy-to-understand algorithms for both Slater determinants and…

Strongly Correlated Electrons · Physics 2026-01-23 Simon H. Hille , Attila Szabó

This work is a rigorous development of a complete and general-purpose deep learning framework from the ground up. The fundamental components of deep learning - automatic differentiation and gradient methods of optimizing multivariable…

Mathematical Software · Computer Science 2020-11-18 Andrei Nicolae

Efficient tensor computation is a cornerstone of modern deep learning (DL) workloads, yet existing approaches struggle to achieve flexible and performant design and implementation of tensor layouts -- mappings between logical tensors and…

We present Trieste, an open-source Python package for Bayesian optimization and active learning benefiting from the scalability and efficiency of TensorFlow. Our library enables the plug-and-play of popular TensorFlow-based models within…

HOTTBOX is a Python library for exploratory analysis and visualisation of multi-dimensional arrays of data, also known as tensors. The library includes methods ranging from standard multi-way operations and data manipulation through to…

Mathematical Software · Computer Science 2021-12-02 Ilya Kisil , Giuseppe G. Calvi , Bruno S. Dees , Danilo P. Mandic

Continuous-depth learning has recently emerged as a novel perspective on deep learning, improving performance in tasks related to dynamical systems and density estimation. Core to these approaches is the neural differential equation, whose…

Machine Learning · Computer Science 2020-09-22 Michael Poli , Stefano Massaroli , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

There is a significant expansion in both volume and range of applications along with the concomitant increase in the variety of data sources. These ever-expanding trends have highlighted the necessity for more versatile analysis tools that…

Numerical Analysis · Mathematics 2021-09-09 Ilya Kisil , Giuseppe G. Calvi , Kriton Konstantinidis , Yao Lei Xu , Danilo P. Mandic

DeepLab2 is a TensorFlow library for deep labeling, aiming to provide a state-of-the-art and easy-to-use TensorFlow codebase for general dense pixel prediction problems in computer vision. DeepLab2 includes all our recently developed…

Heterogeneous deep learning systems (DLS) such as GPUs and ASICs have been widely deployed in industrial data centers, which requires to develop multiple low-level tensor programs for different platforms. An attractive solution to relieve…

Computation and Language · Computer Science 2025-05-06 Shouyang Dong , Yuanbo Wen , Jun Bi , Di Huang , Jiaming Guo , Jianxing Xu , Ruibai Xu , Xinkai Song , Yifan Hao , Xuehai Zhou , Tianshi Chen , Qi Guo , Yunji Chen

PySEMTools is a Python-based library for post-processing simulation data produced with high-order hexahedral elements in the context of the spectral element method in computational fluid dynamics. It aims to minimize intermediate steps…

Computational Physics · Physics 2025-04-18 Adalberto Perez , Siavash Toosi , Tim Felle Olsen , Stefano Markidis , Philipp Schlatter

Computing multivariate derivatives of matrix-like expressions in the compact, coordinate free fashion is very important for both theory and applied computations (e.g. optimization and machine learning). The critical components of such…

Symbolic Computation · Computer Science 2019-12-02 Maciej Skorski

The tensor cross interpolation (TCI) algorithm is a rank-revealing algorithm for decomposing low-rank, high-dimensional tensors into tensor trains/matrix product states (MPS). TCI learns a compact MPS representation of the entire object…

Tensor network, which originates from quantum physics, is emerging as an efficient tool for classical and quantum machine learning. Nevertheless, there still exists a considerable accuracy gap between tensor network and the sophisticated…

Machine Learning · Computer Science 2023-06-07 Ye-Ming Meng , Jing Zhang , Peng Zhang , Chao Gao , Shi-Ju Ran

In this paper, we introduce a type of tensor neural network based machine learning method to solve elliptic multiscale problems. Based on the special structure, we can do the direct and highly accurate high dimensional integrations for the…

Numerical Analysis · Mathematics 2024-03-26 Zhongshuo Lin , Haochen Liu , Hehu Xie

Tensor networks provide extremely powerful tools for the study of complex classical and quantum many-body problems. Over the last two decades, the increment in the number of techniques and applications has been relentless, and especially…

Quantum Physics · Physics 2023-03-29 Mari Carmen Bañuls

Machine learning techniques are becoming a fundamental tool for scientific and engineering progress. These techniques are applied in contexts as diverse as astronomy and spam filtering. However, correctly applying these techniques requires…

In resent years, the software ecosystem for numerical simulation still remains fragmented, with different algorithms and discretization methods often implemented in isolation, each with distinct data structures and programming conventions.…

Numerical Analysis · Mathematics 2026-03-10 Yangyang Zheng , Huayi Wei , Yunqing Huang , Chunyu Chen , Tian Tian , Hanbin Liu , Wenbin Wang , Liang He

With a wide range of libraries focused on the machine learning market, such as TensorFlow, NumPy, Pandas, Keras, and others, Python has made a name for itself as one of the main programming languages. In February 2021, Jos\'e Valim and Sean…

Machine Learning · Computer Science 2022-10-26 Lucas C. Tavano , Lucas K. Amin , Adolfo Gustavo Serra-Seca-Neto

Neural networks are increasingly deployed in scientific, safety critical, and mission critical pipelines, yet verification and analysis are often performed outside the programming environment that defines and runs the model. This creates a…

Mathematical Software · Computer Science 2026-05-26 Robert Joseph George , Jennifer Cruden , Will Adkisson , Xiangru Zhong , Huan Zhang , Anima Anandkumar

Probabilistic deep learning is deep learning that accounts for uncertainty, both model uncertainty and data uncertainty. It is based on the use of probabilistic models and deep neural networks. We distinguish two approaches to probabilistic…

Machine Learning · Computer Science 2021-06-10 Daniel T. Chang